⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1251903 | 0.90 | — | — | |
| Acetic Acid SCHEMBL1550886 | 0.87 | FFAR3 (0.44) | — | |
| Acetic Acid SCHEMBL5143383 | 0.87 | FFAR3 (0.44) | — | |
| Methyl Alcohol SCHEMBL2938777 | 0.81 | — | — | |
| Methyl Alcohol SCHEMBL15486105 | 0.81 | — | — | |
| Methyl Alcohol SCHEMBL3873053 | 0.81 | TSHR (0.43) | — | |
| Methyl Alcohol SCHEMBL1303760 | 0.81 | TSHR (0.43) | — | |
| Methyl Alcohol SCHEMBL14631040 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL949 | 0.80 | — | — | |
| Acetone SCHEMBL10400055 | 0.79 | ALDH1A1 (0.43) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0858461-B1 | FUSED TROPANE-DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS | NEUROSEARCH AS (DK) | 2002-09-18 | — | — | EP | disclosed |
| US-5998405-A | PSYCHOLOGICAL DISORDERS | NEUROSEARCH A/S (DK) | 1999-12-07 | — | — | US | disclosed |
| EP-0858461-A1 | FUSED TROPANE-DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997016451-A1 | FUSED TROPANE-DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 1997-05-09 | — | — | WO | disclosed |
| EP-0641787-A1 | 2H-naphth[2,3-b]-1,4-oxazine derivatives, their preparation and their use as serotonin 1D (5-HT10) receptor agonists | SANDOZ LTD. (CH) | 1995-03-08 | — | — | EP | disclosed |